2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate

C8H10Cl3NO3 — CID 141448559

IUPAC2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)OCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C8H10Cl3NO3/c9-8(10,11)5-15-7(14)12-3-1-2-6(13)4-12/h1-5H2
InChIKeyAWMPNNDCUUENJE-UHFFFAOYSA-N
MW274.53 g/mol
LogP2.16
Rot. Bonds1

About 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate

2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate (PubChem CID 141448559) has the molecular formula C8H10Cl3NO3 and a molecular weight of 274.53 g/mol. Its IUPAC name is 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate
PubChem CID141448559
Molecular FormulaC8H10Cl3NO3
Molecular Weight274.53 g/mol
Exact Mass272.97
IUPAC Name2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)OCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C8H10Cl3NO3/c9-8(10,11)5-15-7(14)12-3-1-2-6(13)4-12/h1-5H2
InChIKeyAWMPNNDCUUENJE-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

10-O,22-O,28-O-tris(prop-2-enyl) 4-O,16-O,34-O-tris(2,2,2-trichloroethyl) 6,12,18,24,30,36,44,53-octaoxo-1,4,7,10,13,16,19,22,25,28,31,34,37,45-tetradecazacyclotripentacontane-4,10,16,22,28,34-hexacarboxylate
CID 102017745
prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211
(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819308
2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
CID 70625672
1-[(2S)-2-aminopropanoyl]piperidin-3-one
CID 66564387
4-O-tert-butyl 11-O-(2,2,2-trichloroethyl) 1,7-dithia-4,11-diazacyclotetradecane-4,11-dicarboxylate
CID 10601771
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
(3,4-dimethylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819331
butyl 4-oxoazepane-1-carboxylate
CID 23137098
2,2,2-trichloroethyl 3-chloro-4-hydroxypyrrolidine-1-carboxylate
CID 13192206
2,2,2-trichloroethyl (3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 172546516

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate?
The IUPAC name of 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate (CID 141448559) is 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate is O=C1CCCN(C(=O)OCC(Cl)(Cl)Cl)C1.
What is the InChIKey of 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate?
The InChIKey is AWMPNNDCUUENJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3NO3/c9-8(10,11)5-15-7(14)12-3-1-2-6(13)4-12/h1-5H2.
What are the key properties of 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate?
2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate has a molecular weight of 274.53 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 141448559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).